==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-AUG-08 2W0B . COMPND 2 MOLECULE: CYTOCHROME P450 51; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.M.PODUST . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 0 1 1 0 1 0 1 1 2 0 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A A 0 0 140 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.3 -15.1 -13.3 99.1 2 4 A V - 0 0 128 1,-0.0 2,-0.3 0, 0.0 328,-0.1 -0.619 360.0-131.0 -76.9 134.8 -12.1 -15.1 97.8 3 5 A A - 0 0 86 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 -0.671 16.4-118.4 -91.4 144.8 -10.2 -12.9 95.3 4 6 A L - 0 0 16 -2,-0.3 35,-0.1 1,-0.1 -1,-0.1 -0.340 45.4 -77.3 -72.0 159.0 -9.1 -14.1 91.9 5 7 A P - 0 0 36 0, 0.0 35,-1.7 0, 0.0 2,-0.4 -0.343 51.2-151.5 -55.7 136.5 -5.4 -14.4 90.9 6 8 A R B -a 40 0A 87 33,-0.2 35,-0.2 -3,-0.1 -3,-0.0 -0.948 12.0-118.9-120.3 131.3 -4.1 -10.9 90.1 7 9 A V - 0 0 3 33,-2.7 35,-0.1 -2,-0.4 24,-0.1 -0.313 39.1 -95.6 -66.7 151.5 -1.2 -10.1 87.6 8 10 A S S S+ 0 0 52 22,-0.2 2,-0.1 33,-0.0 -1,-0.1 -0.083 89.2 26.5 -62.5 165.0 1.9 -8.4 88.9 9 11 A G + 0 0 32 1,-0.1 7,-0.1 2,-0.0 6,-0.0 -0.462 52.4 132.9 79.4-154.2 2.4 -4.7 88.6 10 12 A G + 0 0 21 5,-0.2 6,-0.2 -2,-0.1 7,-0.1 0.810 29.2 133.7 79.2 30.0 -0.5 -2.3 88.6 11 13 A H + 0 0 167 5,-0.1 5,-0.1 3,-0.1 -1,-0.1 0.261 39.9 104.8 -97.2 11.6 0.9 0.0 91.2 12 14 A D B > S-B 15 0A 92 3,-1.2 3,-2.1 1,-0.1 5,-0.1 -0.235 92.8 -83.4 -86.1 179.6 0.0 3.2 89.2 13 15 A E T 3 S+ 0 0 165 1,-0.3 3,-0.1 3,-0.1 -1,-0.1 0.855 130.2 31.8 -56.2 -42.4 -2.8 5.6 90.0 14 16 A H T > S- 0 0 54 1,-0.3 30,-2.6 28,-0.0 3,-1.7 -0.088 111.1-118.3-108.8 36.6 -5.4 3.6 88.2 15 17 A G B < S-BC 12 43A 13 -3,-2.1 -3,-1.2 1,-0.3 -1,-0.3 -0.561 86.3 -9.5 73.5-118.4 -3.9 0.2 88.9 16 18 A H T 3> S+ 0 0 3 26,-2.6 4,-2.7 -2,-0.5 -1,-0.3 0.423 110.9 97.6 -91.4 -0.4 -3.0 -1.5 85.6 17 19 A L H <> S+ 0 0 0 -3,-1.7 4,-1.6 25,-0.5 -1,-0.2 0.902 80.0 53.5 -59.5 -41.2 -4.8 1.1 83.4 18 20 A E H > S+ 0 0 39 -3,-0.3 4,-2.0 1,-0.2 3,-0.4 0.936 113.7 42.4 -58.9 -46.1 -1.6 3.1 82.7 19 21 A E H > S+ 0 0 36 -4,-0.3 4,-3.2 1,-0.2 8,-0.2 0.847 107.6 61.0 -68.2 -34.4 0.1 -0.1 81.5 20 22 A F H < S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.812 108.4 45.2 -63.6 -28.1 -3.0 -1.1 79.6 21 23 A R H < S+ 0 0 50 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.923 119.5 38.7 -73.8 -49.7 -2.6 2.1 77.6 22 24 A T H < S- 0 0 115 -4,-2.0 -2,-0.2 1,-0.2 400,-0.2 0.799 140.0 -0.1 -78.7 -30.0 1.1 1.8 76.9 23 25 A D X + 0 0 77 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 -0.361 64.9 162.8-158.7 68.2 1.4 -1.9 76.3 24 26 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.858 79.8 53.2 -61.7 -36.2 -2.0 -3.8 76.6 25 27 A I H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.922 109.4 48.4 -68.1 -41.8 -0.7 -6.8 74.7 26 28 A G H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 112.7 49.5 -62.0 -39.5 2.3 -7.2 77.1 27 29 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -8,-0.2 -2,-0.2 0.958 112.6 46.1 -62.0 -50.8 -0.0 -6.8 80.0 28 30 A M H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.876 112.0 51.0 -64.0 -35.0 -2.5 -9.4 78.8 29 31 A Q H X S+ 0 0 61 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.887 107.9 53.5 -68.9 -34.5 0.3 -11.8 77.9 30 32 A R H X S+ 0 0 58 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.860 103.7 56.5 -67.8 -34.2 1.7 -11.4 81.4 31 33 A V H X>S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 5,-0.5 0.961 113.4 40.4 -57.2 -47.8 -1.7 -12.3 82.9 32 34 A R H X5S+ 0 0 50 -4,-1.7 4,-1.9 3,-0.2 -2,-0.2 0.911 115.0 50.9 -69.6 -42.9 -1.6 -15.6 81.0 33 35 A D H <5S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.898 120.7 33.9 -61.7 -43.5 2.1 -16.3 81.6 34 36 A E H <5S+ 0 0 88 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.847 135.7 18.6 -78.9 -36.3 1.8 -15.7 85.4 35 37 A L H <5S- 0 0 52 -4,-2.4 3,-0.4 -5,-0.3 2,-0.3 0.615 89.7-140.4-119.5 -20.6 -1.7 -17.1 86.0 36 38 A G << - 0 0 25 -4,-1.9 -1,-0.3 -5,-0.5 -2,-0.1 -0.665 65.7 -8.4 93.2-145.5 -2.9 -19.3 83.2 37 39 A D S S+ 0 0 44 -2,-0.3 15,-2.0 1,-0.2 2,-0.4 0.632 131.0 38.9 -71.9 -19.7 -6.3 -19.4 81.6 38 40 A V E S+ D 0 51A 2 -3,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.965 73.5 134.6-134.2 119.9 -8.1 -17.2 84.2 39 41 A G E - D 0 50A 0 11,-1.8 11,-3.0 -2,-0.4 2,-0.3 -0.981 34.4-129.4-158.5 166.2 -6.4 -14.1 85.7 40 42 A T E -aD 6 49A 0 -35,-1.7 -33,-2.7 -2,-0.3 2,-0.3 -0.846 13.2-175.4-126.9 156.5 -7.2 -10.5 86.5 41 43 A F E - D 0 48A 0 7,-1.7 7,-3.0 -2,-0.3 2,-0.6 -0.941 30.5-116.5-138.2 160.7 -6.0 -7.0 86.1 42 44 A Q E - D 0 47A 46 -2,-0.3 -26,-2.6 5,-0.2 2,-0.9 -0.889 17.9-168.9-106.4 121.2 -7.4 -3.7 87.6 43 45 A L E > -CD 15 46A 3 3,-3.4 3,-2.5 -2,-0.6 -28,-0.2 -0.832 64.8 -71.6-106.9 89.1 -8.7 -1.1 85.3 44 46 A A T 3 S- 0 0 16 -30,-2.6 -28,-0.1 -2,-0.9 136,-0.1 -0.392 119.3 -8.2 55.5-122.3 -9.1 1.9 87.6 45 47 A G T 3 S+ 0 0 66 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.681 123.8 86.9 -72.8 -13.6 -12.1 0.9 89.8 46 48 A K E < -D 43 0A 93 -3,-2.5 -3,-3.4 289,-0.0 2,-0.4 -0.714 66.5-143.2-103.4 134.0 -12.9 -2.2 87.7 47 49 A Q E -D 42 0A 45 -2,-0.4 289,-1.8 -5,-0.2 2,-0.5 -0.759 16.0-155.6 -86.9 132.3 -11.6 -5.7 87.9 48 50 A V E -De 41 336A 0 -7,-3.0 -7,-1.7 -2,-0.4 2,-0.9 -0.954 3.5-153.3-108.8 122.6 -11.1 -7.4 84.5 49 51 A V E -De 40 337A 0 287,-2.9 289,-3.0 -2,-0.5 2,-0.7 -0.852 16.1-156.6 -93.6 104.4 -11.2 -11.2 84.5 50 52 A L E -De 39 338A 3 -11,-3.0 -11,-1.8 -2,-0.9 2,-0.3 -0.761 7.9-165.5 -90.3 117.8 -9.1 -12.1 81.5 51 53 A L E +De 38 339A 0 287,-3.1 289,-0.6 -2,-0.7 2,-0.3 -0.741 12.3 169.0 -98.7 145.2 -9.9 -15.5 80.0 52 54 A S + 0 0 4 -15,-2.0 4,-0.5 -2,-0.3 3,-0.1 -0.984 32.8 48.2-151.8 164.0 -7.7 -17.3 77.6 53 55 A G S > S- 0 0 6 -2,-0.3 4,-2.4 3,-0.1 5,-0.2 -0.011 91.7 -71.8 85.5 163.4 -7.2 -20.8 76.0 54 56 A S H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.884 125.9 48.7 -63.3 -44.5 -9.9 -22.9 74.4 55 57 A H H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.955 117.8 38.8 -63.1 -50.1 -11.9 -24.0 77.5 56 58 A A H > S+ 0 0 0 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.888 115.7 53.2 -71.1 -39.8 -12.2 -20.5 79.1 57 59 A N H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.886 104.2 56.1 -60.4 -37.1 -12.8 -18.9 75.7 58 60 A E H X S+ 0 0 60 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.925 107.5 49.3 -63.2 -43.2 -15.6 -21.4 74.9 59 61 A F H X S+ 0 0 53 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.954 113.6 47.0 -55.8 -50.4 -17.3 -20.3 78.1 60 62 A F H < S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.919 116.9 41.4 -57.7 -49.4 -16.9 -16.6 77.1 61 63 A F H < S+ 0 0 2 -4,-3.0 322,-2.1 1,-0.2 323,-0.4 0.786 112.4 51.4 -76.8 -27.6 -18.1 -17.0 73.5 62 64 A R H < S+ 0 0 149 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 0.558 86.6 106.3 -86.6 -7.2 -21.0 -19.3 74.1 63 65 A A < - 0 0 7 -4,-0.8 2,-0.2 -3,-0.4 320,-0.1 -0.531 61.4-146.1 -74.7 133.6 -22.5 -17.1 76.8 64 66 A G >> - 0 0 11 -2,-0.3 4,-2.6 319,-0.1 3,-2.4 -0.458 35.1 -93.5 -89.0 171.8 -25.6 -15.1 75.8 65 67 A D T 34 S+ 0 0 45 1,-0.3 254,-0.1 2,-0.2 4,-0.1 0.670 121.8 69.3 -67.1 -15.8 -26.3 -11.6 77.1 66 68 A D T 34 S+ 0 0 155 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.731 117.2 23.5 -66.9 -22.2 -28.4 -13.1 79.9 67 69 A D T <4 S+ 0 0 73 -3,-2.4 254,-2.9 1,-0.3 255,-0.5 0.792 139.8 19.4-110.3 -52.6 -25.1 -14.4 81.4 68 70 A L E < S-F 320 0A 0 -4,-2.6 2,-0.6 252,-0.2 -1,-0.3 -0.957 80.9-146.0-125.4 110.4 -22.4 -12.2 80.0 69 71 A D E +F 319 0A 29 250,-3.0 250,-1.9 -2,-0.5 3,-0.1 -0.649 22.2 176.8 -88.5 119.3 -23.7 -8.9 78.8 70 72 A Q > + 0 0 32 -2,-0.6 3,-1.4 248,-0.2 4,-0.3 0.733 69.1 79.3 -84.1 -24.7 -22.0 -7.3 75.8 71 73 A A T 3 S+ 0 0 66 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.849 104.3 28.4 -56.2 -40.6 -24.4 -4.4 75.5 72 74 A K T 3 S+ 0 0 164 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.293 98.0 91.7-103.3 10.5 -22.8 -2.3 78.3 73 75 A A S < S+ 0 0 0 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.467 80.6 53.8 -92.7 -1.5 -19.3 -3.6 78.0 74 76 A Y > + 0 0 45 -3,-0.3 3,-2.4 -4,-0.3 4,-0.3 -0.516 58.9 164.9-130.0 65.6 -17.9 -1.0 75.6 75 77 A P G > + 0 0 27 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.642 65.5 77.4 -63.0 -17.6 -18.7 2.4 77.2 76 78 A F G 3 S+ 0 0 13 1,-0.3 4,-0.3 2,-0.1 99,-0.1 0.695 89.2 61.7 -63.4 -16.6 -16.3 4.3 74.9 77 79 A M G X> S+ 0 0 27 -3,-2.4 4,-2.6 1,-0.2 3,-0.7 0.721 82.5 80.7 -79.8 -21.5 -19.1 3.9 72.4 78 80 A T H <> S+ 0 0 69 -3,-1.3 4,-1.8 1,-0.3 -1,-0.2 0.907 93.2 44.1 -58.1 -49.1 -21.6 5.9 74.4 79 81 A P H 34 S+ 0 0 8 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.729 112.8 56.4 -69.1 -19.8 -20.4 9.4 73.4 80 82 A I H <4 S+ 0 0 0 -3,-0.7 -2,-0.2 -4,-0.3 164,-0.2 0.945 108.6 42.6 -74.3 -50.4 -20.2 8.2 69.8 81 83 A F H < S- 0 0 86 -4,-2.6 3,-0.3 1,-0.1 -1,-0.2 0.871 99.0-175.9 -58.8 -32.8 -23.8 7.1 69.5 82 84 A G < - 0 0 20 -4,-1.8 -2,-0.1 -5,-0.3 -1,-0.1 -0.171 41.9 -59.2 61.8-159.2 -24.7 10.3 71.4 83 85 A E S S+ 0 0 147 -4,-0.1 -1,-0.2 -3,-0.1 154,-0.1 0.630 97.0 103.4 -98.5 -19.8 -28.2 11.2 72.4 84 86 A G - 0 0 15 -3,-0.3 2,-0.4 152,-0.2 153,-0.0 -0.318 46.7-167.4 -66.8 146.9 -30.1 11.2 69.1 85 87 A V + 0 0 46 1,-0.1 3,-0.2 3,-0.0 153,-0.1 -0.984 13.3 173.4-133.5 128.2 -32.4 8.4 68.1 86 88 A V S S+ 0 0 9 -2,-0.4 2,-0.7 1,-0.3 -1,-0.1 0.880 79.9 30.3 -95.5 -58.5 -33.7 8.1 64.6 87 89 A F S S- 0 0 101 7,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.900 85.5-143.4-105.2 110.7 -35.4 4.8 64.7 88 90 A D + 0 0 138 -2,-0.7 2,-0.3 -3,-0.2 -3,-0.0 -0.542 45.8 112.1 -79.0 130.2 -36.7 4.1 68.2 89 91 A A - 0 0 39 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.944 69.0 -49.1-172.0-177.5 -36.6 0.4 69.4 90 92 A S > - 0 0 51 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.244 58.3-107.0 -62.8 156.9 -34.8 -1.8 71.9 91 93 A P H > S+ 0 0 101 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.881 120.6 51.4 -52.7 -40.0 -31.0 -1.6 72.1 92 94 A E H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.880 111.7 45.7 -68.1 -38.7 -30.7 -4.9 70.3 93 95 A R H > S+ 0 0 137 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.863 108.4 55.2 -74.5 -38.5 -32.9 -4.0 67.5 94 96 A R H X S+ 0 0 88 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.883 107.5 52.9 -59.9 -34.3 -31.3 -0.6 67.0 95 97 A K H >X S+ 0 0 78 -4,-1.6 3,-1.0 -5,-0.3 4,-0.8 0.957 107.2 49.5 -66.9 -48.4 -28.1 -2.5 66.7 96 98 A E H >X S+ 0 0 81 -4,-2.0 4,-2.8 1,-0.2 3,-0.9 0.902 107.6 57.2 -51.0 -45.2 -29.5 -4.8 63.9 97 99 A M H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.703 95.5 64.4 -65.5 -22.9 -30.7 -1.7 62.1 98 100 A L H << S+ 0 0 31 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.895 125.0 2.6 -65.4 -36.3 -27.3 -0.2 61.9 99 101 A H H 4 S+ 0 0 80 -5,-0.3 3,-1.3 1,-0.2 -1,-0.2 0.946 114.6 43.4 -54.4 -51.1 -29.7 -4.1 55.3 102 104 A A H 34 S+ 0 0 17 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.728 110.4 56.8 -70.6 -21.6 -26.3 -3.4 53.9 103 105 A L H 3< S+ 0 0 44 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.425 75.6 126.3 -90.6 1.2 -25.0 -6.8 55.0 104 106 A R X< - 0 0 140 -3,-1.3 3,-1.9 -4,-0.5 4,-0.5 -0.332 67.9-125.4 -63.7 141.1 -27.6 -8.8 53.1 105 107 A G G > S+ 0 0 57 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.838 107.9 60.3 -54.2 -39.3 -26.1 -11.3 50.7 106 108 A E G 3 S+ 0 0 122 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.653 102.1 54.8 -67.5 -13.9 -27.9 -10.0 47.7 107 109 A Q G <> S+ 0 0 90 -3,-1.9 4,-2.2 1,-0.1 -1,-0.3 0.573 84.7 87.0 -90.7 -11.4 -26.2 -6.6 48.2 108 110 A M H <> S+ 0 0 20 -3,-1.5 4,-2.4 -4,-0.5 5,-0.2 0.870 83.1 52.8 -63.6 -42.4 -22.7 -8.0 48.1 109 111 A K H > S+ 0 0 125 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.939 111.6 47.6 -58.4 -46.2 -22.1 -7.9 44.3 110 112 A G H > S+ 0 0 39 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.897 110.9 51.6 -62.0 -40.8 -23.1 -4.2 44.2 111 113 A H H X S+ 0 0 13 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.887 106.0 54.5 -62.3 -39.2 -20.9 -3.4 47.2 112 114 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.923 110.0 46.8 -63.0 -40.3 -17.9 -5.1 45.5 113 115 A A H X S+ 0 0 41 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.917 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